Structure Information
Structure

Compound Identification

SMILES

CC1N(CC2=CC=CC=C2)C(=O)C2=CC(OC(=O)C3=CC(=CC=C3)S(F)(=O)=O)=NC(OC(=O)C3=CC(=CC=C3)S(F)(=O)=O)=C12

InChIKey

InChIKey=YWUCQPWIHAQMAB-UHFFFAOYSA-N

Formula

C29H20F2N2O9S2

Mass

642.6

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzoic acid esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoate ester - Benzenesulfonyl group - Pyrrolopyridine - Pyridine carboxylic acid or derivatives - Benzoyl - Pyridine - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Tertiary carboxylic acid amide - Sulfonyl - Sulfonyl halide - Sulfonyl fluoride - Carboxylic acid ester - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

Not available

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